2367-1272 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

2367-1272 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
2367-1272 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2367-1272
5-amino-3-[(1Z)-1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2367-1272

Molecular Formula

C25H19Cl2N7O (C25 H19 Cl2 N7 O)

Compound Name

5-amino-3-[(1Z)-1-cyano-2-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-{1-[(24-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

Nc(n(CCO)nc1/C(/C#N)=C/c2cn(Cc(ccc(Cl)c3)c3Cl)nc2-c2ccccc2)c1C#N

InChI

InChI=1S/C25H19Cl2N7O/c26-20-7-6-17(22(27)11-20)14-33-15-19(23(31-33)16-4-2-1-3-5-16)10-18(12-28)24-21(13-29)25(30)34(32-24)8-9-35/h1-7,10-11,15,35H,8-9,14,30H2

InChI Key

FXJSRGSSTKYRDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-4.23

Polar Surface Area

99.492

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

2367-1272 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2367-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2367-1272?
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What is the minimum amount of 2367-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2367-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2367-1272
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2367-1272 available by request